1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine

C11H10F2N4 — CID 168628497

IUPAC1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(F)cc2F)c(N)n1
InChIInChI=1S/C11H10F2N4/c1-7-6-17(11(14)16-7)15-5-8-2-3-9(12)4-10(8)13/h2-6H,1H3,(H2,14,16)
InChIKeyYNQVIUNHRYCQQI-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.93
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628497) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628497
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(F)cc2F)c(N)n1
InChIInChI=1S/C11H10F2N4/c1-7-6-17(11(14)16-7)15-5-8-2-3-9(12)4-10(8)13/h2-6H,1H3,(H2,14,16)
InChIKeyYNQVIUNHRYCQQI-UHFFFAOYSA-N
XLogP1.93
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629406
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168629682
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-4-(4-fluorophenyl)phenol
CID 168631348
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-bromo-3-fluorophenol
CID 168631311
1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630786
1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629214
1-[(2-fluoro-5-methylsulfonylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631296
1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628715
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629507

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628497) is 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(F)cc2F)c(N)n1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is YNQVIUNHRYCQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-7-6-17(11(14)16-7)15-5-8-2-3-9(12)4-10(8)13/h2-6H,1H3,(H2,14,16).
What are the key properties of 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 236.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).